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Omphamurin isovalerate
SpectraBase Compound ID H3m5V8TFGYe
InChI InChI=1S/C21H26O6/c1-12(2)9-20(23)26-16(13(3)4)10-15-18(25-6)11-17(24-5)14-7-8-19(22)27-21(14)15/h7-8,11-12,16H,3,9-10H2,1-2,4-6H3/t16-/m0/s1
InChIKey VKLOXDKDHIKQPG-INIZCTEOSA-N
Mol Weight 374.43 g/mol
Molecular Formula C21H26O6
Exact Mass 374.172939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ZDlE5AWws5
Name Omphamurin isovalerate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O6
InChI InChI=1S/C21H26O6/c1-12(2)9-20(23)26-16(13(3)4)10-15-18(25-6)11-17(24-5)14-7-8-19(22)27-21(14)15/h7-8,11-12,16H,3,9-10H2,1-2,4-6H3/t16-/m0/s1
InChIKey VKLOXDKDHIKQPG-INIZCTEOSA-N
Molecular Weight 374.433 g/mol
SMILES c12c(C[C@](OC(=O)CC(C)C)(C(=C)C)[H])c(OC)cc(c2C=CC(O1)=O)OC
SPLASH splash10-014i-0090000000-23bff4bcb6ea55930165
Source of Spectrum E1-44-1211-6
Synonyms 3-Methylbutanoic acid [(2S)-1-(5,7-dimethoxy-2-oxo-1-benzopyran-8-yl)-3-methylbut-3-en-2-yl] ester [(2S)-1-(5,7-dimethoxy-2-oxochromen-8-yl)-3-methylbut-3-en-2-yl] 3-methylbutanoate [(1S)-1-[(5,7-dimethoxy-2-oxo-chromen-8-yl)methyl]-2-methyl-allyl] 3-methylbutanoate [(2S)-1-(5,7-dimethoxy-2-oxidanylidene-chromen-8-yl)-3-methyl-but-3-en-2-yl] 3-methylbutanoate
Wiley ID 1553500